UCSF

ZINC34686240

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.35 7.58 -14.81 0 7 0 62 455.53 7
Mid Mid (pH 6-8) 1.35 9.84 -47.41 1 7 1 64 456.538 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )